
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.8935   -3.8082    1.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3435   -3.0600    3.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479    0.2634   -5.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9028   -1.0685   -5.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307    1.2614   -4.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360   -1.4070   -4.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    1.9271   -2.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2788    1.5821   -1.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2028   -0.7505   -2.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -1.7990    1.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5294   -2.5974    2.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8498    0.9375   -3.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -0.4170   -3.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3581    0.2417   -1.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425   -0.1042    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -1.3074    0.0607 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    0.6713    1.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2427   -3.5000    0.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2788   -4.3763    2.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6563   -4.4833    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814   -2.2050    3.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7122   -3.6030    4.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598   -3.7254    3.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3868    0.5274   -6.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3065   -1.8453   -5.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4806    2.2964   -5.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3116   -2.4535   -3.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621    2.9762   -3.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    2.3593   -0.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1935   -1.7882   -1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733   -0.9454    1.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2478   -2.4245    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   -1.9474    2.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7954   -1.8379   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  5  2  0  0  0  0
  3 24  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  2  0  0  0  0
  9 30  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 10  1  0  0  0  0
 11 33  1  0  0  0  0
 12  7  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 34  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <ID>
Z32385991

>  <Barcode>
9990529555

>  <Well>
G05

>  <Plate_ID>
816280-04

>  <MW>
227.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H17NO/c1-11(2)10-16-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	15
3	C	17
4	C	16
5	C	13
6	C	11
7	C	9
8	C	7
9	C	4
10	C	10
11	C	12
12	C	8
13	C	5
14	C	2
15	C	1
16	N	3
17	O	6
18	H	28
19	H	29
20	H	27
21	H	32
22	H	31
23	H	30
24	H	34
25	H	33
26	H	26
27	H	24
28	H	21
29	H	20
30	H	19
31	H	22
32	H	23
33	H	25
34	H	18


> <ALATIS_Mixture_Map>

$$$$
